[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate

C12H14O6 — CID 23220275

IUPAC[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
SMILESCOC(=O)OCc1cccc(COC(=O)OC)c1
InChIInChI=1S/C12H14O6/c1-15-11(13)17-7-9-4-3-5-10(6-9)8-18-12(14)16-2/h3-6H,7-8H2,1-2H3
InChIKeyWRCTVJOQAJMWSB-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.25
Rot. Bonds4

About [3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate

[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate (PubChem CID 23220275) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is [3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate.

Molecular Properties

Compound Name[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
PubChem CID23220275
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Name[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
SMILESCOC(=O)OCc1cccc(COC(=O)OC)c1
InChIInChI=1S/C12H14O6/c1-15-11(13)17-7-9-4-3-5-10(6-9)8-18-12(14)16-2/h3-6H,7-8H2,1-2H3
InChIKeyWRCTVJOQAJMWSB-UHFFFAOYSA-N
XLogP2.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 58444255
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
[3-(aminomethyl)phenyl]methyl acetate
CID 147642201
[3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate
CID 55562015
[3-(acetyloxymethyl)phenyl]methyl 2-ethylbutanoate
CID 170293826
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
[3-(hydroxymethyl)phenyl]methyl hydrogen carbonate
CID 118200073
methyl (2S)-2-[3-(bromomethyl)phenoxy]propanoate
CID 86674593
(3-methylphenyl)methyl 2-(methylamino)propanoate
CID 145274403
3-O-[[3-[[3-oxo-3-(pyridin-4-ylmethoxy)propanoyl]oxymethyl]phenyl]methyl] 1-O-(pyridin-4-ylmethyl) propanedioate
CID 135011769
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
CID 113243144

Frequently Asked Questions

What is the IUPAC name of [3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate?
The IUPAC name of [3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate (CID 23220275) is [3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate.
What is the SMILES notation for [3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate?
The canonical SMILES for [3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate is COC(=O)OCc1cccc(COC(=O)OC)c1.
What is the InChIKey of [3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate?
The InChIKey is WRCTVJOQAJMWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-15-11(13)17-7-9-4-3-5-10(6-9)8-18-12(14)16-2/h3-6H,7-8H2,1-2H3.
What are the key properties of [3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate?
[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate has a molecular weight of 254.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate is sourced from PubChem (CID 23220275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).